(2E)-1,1-bis(oxidanylidene)-2-[(5-phenyl-1H-pyrazol-4-yl)methylidene]-1-benzothiophen-3-one

Systemtic Name: (2E)-1,1-bis(oxidanylidene)-2-[(5-phenyl-1H-pyrazol-4-yl)methylidene]-1-benzothiophen-3-one Openeye Name: (2E)-1,1-dioxo-2-[(5-phenyl-1H-pyrazol-4-yl)methylene]benzothiophen-3-one CAS Name: (2E)-1,1-dioxo-2-[(5-phenyl-1H-pyrazol-4-yl)methylidene]-1-benzothiophen-3-one IUPAC Name: (2E)-1,1-dioxo-2-[(5-phenyl-1H-pyrazol-4-yl)methylidene]-1-benzothiophen-3-one Traditional Name: (2E)-1,1-diketo-2-[(5-phenyl-1H-pyrazol-4-yl)methylene]benzothiophen-3-one Formula: C18H12N2O3S MolecularWeight: 336.36448

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C=NN2)C=C3C(=O)C4=CC=CC=C4S3(=O)=O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C=NN2)/C=C/3\C(=O)C4=CC=CC=C4S3(=O)=O

InChI

InChI=1S/C18H12N2O3S/c21-18-14-8-4-5-9-15(14)24(22,23)16(18)10-13-11-19-20-17(13)12-6-2-1-3-7-12/h1-11H,(H,19,20)/b16-10+